CID 9589304

(1-methyl-2-piperidinylidene)thiourea

Structural Information

Molecular Formula
C7H13N3S
SMILES
CN\1CCCC/C1=N\C(=S)N
InChI
InChI=1S/C7H13N3S/c1-10-5-3-2-4-6(10)9-7(8)11/h2-5H2,1H3,(H2,8,11)/b9-6+
InChIKey
DJIPCSXZWOUNKX-RMKNXTFCSA-N
Compound name
(E)-(1-methylpiperidin-2-ylidene)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08302 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 137.2
[M+Na]+ 194.07224 145.7
[M+NH4]+ 189.11684 145.5
[M+K]+ 210.04618 138.5
[M-H]- 170.07574 139.5
[M+Na-2H]- 192.05769 141.2
[M]+ 171.08247 139.1
[M]- 171.08357 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.